(1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

C7H11N3O3 — CID 67971638

IUPAC(1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESNNC(=O)C1[C@H]2CN(C(=O)O)C[C@@H]12
InChIInChI=1S/C7H11N3O3/c8-9-6(11)5-3-1-10(7(12)13)2-4(3)5/h3-5H,1-2,8H2,(H,9,11)(H,12,13)/t3-,4+,5?
InChIKeyXUUPRPVLTLXANL-NGQZWQHPSA-N
MW185.18 g/mol
LogP-1.17
Rot. Bonds1

About (1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

(1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 67971638) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is (1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name(1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID67971638
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name(1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESNNC(=O)C1[C@H]2CN(C(=O)O)C[C@@H]12
InChIInChI=1S/C7H11N3O3/c8-9-6(11)5-3-1-10(7(12)13)2-4(3)5/h3-5H,1-2,8H2,(H,9,11)(H,12,13)/t3-,4+,5?
InChIKeyXUUPRPVLTLXANL-NGQZWQHPSA-N
XLogP-1.17
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of (1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 67971638) is (1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for (1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for (1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is NNC(=O)C1[C@H]2CN(C(=O)O)C[C@@H]12.
What is the InChIKey of (1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is XUUPRPVLTLXANL-NGQZWQHPSA-N. The full InChI is InChI=1S/C7H11N3O3/c8-9-6(11)5-3-1-10(7(12)13)2-4(3)5/h3-5H,1-2,8H2,(H,9,11)(H,12,13)/t3-,4+,5?.
What are the key properties of (1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
(1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of -1.17, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 67971638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).